sodium 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoic acid

Systemtic Name: sodium 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoic acid Openeye Name: sodium 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoic acid CAS Name: sodium 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-phenylpropanoic acid IUPAC Name: sodium 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenylpropanoic acid Traditional Name: sodium 2-(6,8-dimercaptooctanoylamino)-3-phenyl-propionic acid Formula: C17H25NNaO3S2+ MolecularWeight: 378.50507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCC(CCS)S.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCC(CCS)S.[Na+]

InChI

InChI=1S/C17H25NO3S2.Na/c19-16(9-5-4-8-14(23)10-11-22)18-15(17(20)21)12-13-6-2-1-3-7-13;/h1-3,6-7,14-15,22-23H,4-5,8-12H2,(H,18,19)(H,20,21);/q;+1